N-[3-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]propanamide

C15H21N3O2S — CID 66422073

IUPACN-[3-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NC(=O)CC2CSCCN2)c1
InChIInChI=1S/C15H21N3O2S/c1-2-14(19)17-11-4-3-5-12(8-11)18-15(20)9-13-10-21-7-6-16-13/h3-5,8,13,16H,2,6-7,9-10H2,1H3,(H,17,19)(H,18,20)
InChIKeyJUTPNIJIVOOYGY-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.07
Rot. Bonds5

About N-[3-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]propanamide

N-[3-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]propanamide (PubChem CID 66422073) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-[3-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]propanamide
PubChem CID66422073
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC NameN-[3-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NC(=O)CC2CSCCN2)c1
InChIInChI=1S/C15H21N3O2S/c1-2-14(19)17-11-4-3-5-12(8-11)18-15(20)9-13-10-21-7-6-16-13/h3-5,8,13,16H,2,6-7,9-10H2,1H3,(H,17,19)(H,18,20)
InChIKeyJUTPNIJIVOOYGY-UHFFFAOYSA-N
XLogP2.07
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3-[(2-thiomorpholin-3-ylacetyl)amino]benzamide
CID 66421428
N-(3-nitrophenyl)-2-thiomorpholin-3-ylacetamide
CID 66421212
N-[3-(methylsulfamoyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937072
N-[3-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]furan-3-carboxamide
CID 119938258
N-[3-(butan-2-ylsulfamoyl)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119940299
N-(2,6-diethylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66421005
2-thiomorpholin-3-yl-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 66420618
N-[3-(propan-2-ylsulfonylmethyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939122
N-[3-(propan-2-yloxymethyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937948
N-[1-(3-acetamidophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 119936283
N-[3-(difluoromethylsulfonyl)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119938584
N-[3-(2H-tetrazol-5-yl)phenyl]-2-thiomorpholin-3-ylacetamide
CID 66422837

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]propanamide?
The IUPAC name of N-[3-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]propanamide (CID 66422073) is N-[3-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]propanamide.
What is the SMILES notation for N-[3-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]propanamide?
The canonical SMILES for N-[3-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]propanamide is CCC(=O)Nc1cccc(NC(=O)CC2CSCCN2)c1.
What is the InChIKey of N-[3-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]propanamide?
The InChIKey is JUTPNIJIVOOYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-2-14(19)17-11-4-3-5-12(8-11)18-15(20)9-13-10-21-7-6-16-13/h3-5,8,13,16H,2,6-7,9-10H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-[3-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]propanamide?
N-[3-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]propanamide has a molecular weight of 307.42 g/mol, XLogP of 2.07, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]propanamide is sourced from PubChem (CID 66422073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).